6OFQ
ABC transporter-associated periplasmic binding protein DppA from Helicobacter pylori in complex with peptide STSA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-04-06 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.120, 75.770, 128.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.920 - 1.450 |
R-factor | 0.1483 |
Rwork | 0.147 |
R-free | 0.17510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f1q |
RMSD bond length | 0.012 |
RMSD bond angle | 2.192 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.920 | 1.470 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.093 | 0.393 |
Rmeas | 0.115 | 0.497 |
Rpim | 0.065 | 0.297 |
Total number of observations | 239729 | 11020 |
Number of reflections | 95404 | 4613 |
<I/σ(I)> | 6.2 | 1.9 |
Completeness [%] | 86.1 | 84.6 |
Redundancy | 2.5 | 2.4 |
CC(1/2) | 0.992 | 0.751 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 23% PEG 3350, 0.25 M tri-ammonium citrate |